N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide

C22H23N3O5 — CID 143408158

IUPACN-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2COc2cccnc2N)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)25-16-8-5-4-7-14(16)13-30-17-9-6-10-24-21(17)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26)
InChIKeyFTSAIBQXIZJHTE-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.52
Rot. Bonds8

About N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 143408158) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID143408158
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2COc2cccnc2N)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)25-16-8-5-4-7-14(16)13-30-17-9-6-10-24-21(17)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26)
InChIKeyFTSAIBQXIZJHTE-UHFFFAOYSA-N
XLogP3.52
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-[[(3E,5Z)-2,6-diaminohexa-3,5-dien-3-yl]oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408561
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567
N-[2-[(2-methoxyphenoxy)methyl]phenyl]-3-(1,2,4-oxadiazol-3-yl)benzamide
CID 167752994
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide (CID 143408158) is N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2COc2cccnc2N)cc(OC)c1OC.
What is the InChIKey of N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is FTSAIBQXIZJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)25-16-8-5-4-7-14(16)13-30-17-9-6-10-24-21(17)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26).
What are the key properties of N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 143408158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).